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12-O-Z-CINNAMOYLLINEOLON-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOX
SpectraBase Compound ID JZIr1JseD5M
InChI InChI=1S/C55H80O18/c1-28(56)36-18-21-55(63)53(36,7)42(70-43(60)15-14-33-12-10-9-11-13-33)27-41-52(6)19-17-35(22-34(52)16-20-54(41,55)62)69-44-23-37(57)49(30(3)66-44)71-45-24-38(58)50(31(4)67-45)72-46-25-39(59)51(32(5)68-46)73-47-26-40(64-8)48(61)29(2)65-47/h9-16,29-32,35-42,44-51,57-59,61-63H,17-27H2,1-8H3/b15-14-/t29-,30-,31-,32-,35-,36-,37+,38+,39+,40-,41+,42+,44+,45+,46+,47+,48-,49-,50-,51-,52-,53-,54-,55+/m0/s1
InChIKey APGRJGUCWQWGII-WAUIPGHJSA-N
Mol Weight 1029.2 g/mol
Molecular Formula C55H80O18
Exact Mass 1028.534466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zrJ0guh24P
Name 12-O-Z-CINNAMOYLLINEOLON-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOX
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H80O18
InChI InChI=1S/C55H80O18/c1-28(56)36-18-21-55(63)53(36,7)42(70-43(60)15-14-33-12-10-9-11-13-33)27-41-52(6)19-17-35(22-34(52)16-20-54(41,55)62)69-44-23-37(57)49(30(3)66-44)71-45-24-38(58)50(31(4)67-45)72-46-25-39(59)51(32(5)68-46)73-47-26-40(64-8)48(61)29(2)65-47/h9-16,29-32,35-42,44-51,57-59,61-63H,17-27H2,1-8H3/b15-14-/t29-,30-,31-,32-,35-,36-,37+,38+,39+,40-,41+,42+,44+,45+,46+,47+,48-,49-,50-,51-,52-,53-,54-,55+/m0/s1
InChIKey APGRJGUCWQWGII-WAUIPGHJSA-N
Literature Reference Author T.WARASHINA,T.NORO
Literature Reference Citation CHEM.PHARM.BULL.,48,99(2000)
Literature Reference DOI 10.1248/cpb.48.99
Molecular Weight 1029.229 g/mol
Solvent C5D5N
Source File Reference UWLU4825